3-(6-azanylhexanoylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(6-azanylhexanoylamino)-4-fluoranyl-benzoic acid Openeye Name: 3-(6-aminohexanoylamino)-4-fluoro-benzoic acid CAS Name: 3-[(6-amino-1-oxohexyl)amino]-4-fluorobenzoic acid IUPAC Name: 3-(6-aminohexanoylamino)-4-fluorobenzoic acid Traditional Name: 3-(6-aminohexanoylamino)-4-fluoro-benzoic acid Formula: C13H17FN2O3 MolecularWeight: 268.284083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CCCCCN)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CCCCCN)F

InChI

InChI=1S/C13H17FN2O3/c14-10-6-5-9(13(18)19)8-11(10)16-12(17)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H,16,17)(H,18,19)